IUPAC name
2-(diethylamino)ethyl 4-amino-3-butoxybenzoate
SMILES
CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC
Compound class
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.;
Therapeutic area
Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed.
Common name
Oxybuprocaine
IUPAC name
2-(diethylamino)ethyl 4-amino-3-butoxybenzoate
SMILES
CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC
INCHI
InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
FORMULA
C17H28N2O3
Common name
Oxybuprocaine
IUPAC name
2-(diethylamino)ethyl 4-amino-3-butoxybenzoate
Molecular weight
308.416
clogP
2.920
clogS
-4.331
HBond Acceptor
4
HBond Donor
2
Total Polar
Surface Area
64.79
Number of Rings
1
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00571 | 2-methoxyaniline |
|
O(C)c1c(cccc1)N | 0.0014 |
| FDBF01683 | 2-aminoethyl formate |
|
C(COC=O)N | 0.0027 |
| FDBF01684 | ethyl 4-aminobenzoate |
|
Nc1ccc(cc1)C(=O)OCC | 0.0017 |
17 ,
2
